Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14647655 | 0.75 | ESR1 (0.52) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL2404367 | 0.74 | HSD11B1 (0.44) | ACHEGAAGABRA1GABRB2ALDH1A1 | |
| SCHEMBL2400168 | 0.74 | HSD11B1 (0.44) | TSHRSLC6A2GABRA1GABRB2ALDH1A1 | |
| SCHEMBL2400751 | 0.74 | HSD11B1 (0.44) | TSHRSLC6A2SLC6A4SLC6A3ADRA2A | |
| SCHEMBL4199089 | 0.74 | GABRA1 (0.60) | TSHRSLC6A2GAAGABRA1GABRB2 | |
| SCHEMBL16308866 | 0.74 | ESR1 (0.47) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL8755636 | 0.74 | ESR1 (0.42) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL19449790 | 0.74 | ESR1 (0.47) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL5493731 | 0.74 | ESR1 (0.56) | ESR1ACHETSHRACP3SLC6A2 | |
| SCHEMBL29392590 | 0.74 | ESR1 (0.56) | ESR1ACHETSHRACP3SLC6A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835427-B2 | Fungicidal heterocyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| EP-2358709-B1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | DU PONT (US) | 2014-01-22 | — | — | EP | disclosed |
| US-8618137-B2 | Fungicidal heterocyclic compounds | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-12-31 | — | — | US | disclosed |
| US-20120309752-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-06 | — | — | US | disclosed |
| US-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (DE) | 2011-09-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110224258-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | NOX1, XDH, CBR1 | ESR1 3154/4885ACHE 464/4885TSHR 2864/4885 |
| US-20120309752-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | CYP1B1, NOX3, CYP1A1 | ESR1 1934/4885ACHE 605/4885TSHR 3971/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.